Team:UI Indonesia/modelling

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Modelling of Bacterial Contraception

Subtance which has spremicidal effect in Bacterial Contraception is SboA (Substlosin A), a kind of protein. On our project, there’re several part of theoritical modelling that we do :

A. SboA Struture

(A) Amino acid sequence of subtilosin A and subtilosin A1. The backbone cyclization of the peptide via an amide bond is represented by a solid line between the N and C termini. The positions of the sulfur-to-α-carbon thioether linkages are represented by solid lines connected to S. The arrow indicates the position of the single-amino-acid substitution (T6I) in subtilosin A1.

(B) Backbone coil structure of subtilosin A as determined by solution NMR (10). The three sulfur-to-α-carbon thioether bridges are shown, and the location of the N- to C-terminal cyclization is indicated by the arrow. The side chain and backbone of threonine 6 are marked by the bracket.

B. SboAConcentrationNeeded for ImmobilizingSperm


C. Toggle Switch Logic



D. Toggle switch mass action kinetic equation



E. Toggle switch mass action kinetic equation



F. Toggle switch mass action kinetic equation



G. Toggle switch mass action kinetic equation

Thats all the thoritical modelling that made by our team. We can’t do the “Real” modelling because our wet lab project haven’t done yet when I made this.

References :
• Structure of subtilosin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives
• Kawulka KE, Sprules T, Diaper CM, Whittal RM, McKay RT, Mercier P, Zuber P, Vederas JC